N-[2-(6-propan-2-yl-1H-benzimidazol-2-yl)ethyl]propan-1-amine

C15H23N3 — CID 82331830

IUPACN-[2-(6-propan-2-yl-1H-benzimidazol-2-yl)ethyl]propan-1-amine
SMILESCCCNCCc1nc2ccc(C(C)C)cc2[nH]1
InChIInChI=1S/C15H23N3/c1-4-8-16-9-7-15-17-13-6-5-12(11(2)3)10-14(13)18-15/h5-6,10-11,16H,4,7-9H2,1-3H3,(H,17,18)
InChIKeyAMNROHOOVKNRGM-UHFFFAOYSA-N
MW245.37 g/mol
LogP3.23
Rot. Bonds6

About N-[2-(6-propan-2-yl-1H-benzimidazol-2-yl)ethyl]propan-1-amine

N-[2-(6-propan-2-yl-1H-benzimidazol-2-yl)ethyl]propan-1-amine (PubChem CID 82331830) has the molecular formula C15H23N3 and a molecular weight of 245.37 g/mol. Its IUPAC name is N-[2-(6-propan-2-yl-1H-benzimidazol-2-yl)ethyl]propan-1-amine.

Molecular Properties

Compound NameN-[2-(6-propan-2-yl-1H-benzimidazol-2-yl)ethyl]propan-1-amine
PubChem CID82331830
Molecular FormulaC15H23N3
Molecular Weight245.37 g/mol
Exact Mass245.19
IUPAC NameN-[2-(6-propan-2-yl-1H-benzimidazol-2-yl)ethyl]propan-1-amine
SMILESCCCNCCc1nc2ccc(C(C)C)cc2[nH]1
InChIInChI=1S/C15H23N3/c1-4-8-16-9-7-15-17-13-6-5-12(11(2)3)10-14(13)18-15/h5-6,10-11,16H,4,7-9H2,1-3H3,(H,17,18)
InChIKeyAMNROHOOVKNRGM-UHFFFAOYSA-N
XLogP3.23
TPSA40.71 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500245.37
LogP ≤ 53.23
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

N-[2-(1H-benzimidazol-2-yl)ethyl]propan-1-amine
CID 82336831
N-[2-(6-ethyl-1H-benzimidazol-2-yl)ethyl]-3-methylbutan-1-amine
CID 82337145
N-[2-(6-chloro-1H-benzimidazol-2-yl)ethyl]-3-methylbutan-1-amine
CID 82337147
N-ethyl-2-(6-fluoro-1H-benzimidazol-2-yl)ethanamine
CID 25218862
N-[2-(6-methoxy-1H-benzimidazol-2-yl)ethyl]hexan-1-amine
CID 82336889
N-[2-(6-fluoro-1H-benzimidazol-2-yl)ethyl]-6-propan-2-ylquinazolin-4-amine
CID 167828623
2-methyl-6-propan-2-yl-1H-benzimidazole
CID 21069154
N-[2-(1H-benzimidazol-2-yl)ethyl]pentan-1-amine
CID 82336874
N-ethyl-2-[6-(trifluoromethyl)-1H-benzimidazol-2-yl]ethanamine
CID 81456799
2-methyl-N-[2-(6-propan-2-yloxy-1H-benzimidazol-2-yl)ethyl]propan-1-amine
CID 82331939
N-[2-(5,6-dimethyl-1H-benzimidazol-2-yl)ethyl]hexan-1-amine
CID 82336896
2-[2-[2-(6-ethyl-1H-benzimidazol-2-yl)ethylamino]ethoxy]ethanol
CID 82337062

Frequently Asked Questions

What is the IUPAC name of N-[2-(6-propan-2-yl-1H-benzimidazol-2-yl)ethyl]propan-1-amine?
The IUPAC name of N-[2-(6-propan-2-yl-1H-benzimidazol-2-yl)ethyl]propan-1-amine (CID 82331830) is N-[2-(6-propan-2-yl-1H-benzimidazol-2-yl)ethyl]propan-1-amine.
What is the SMILES notation for N-[2-(6-propan-2-yl-1H-benzimidazol-2-yl)ethyl]propan-1-amine?
The canonical SMILES for N-[2-(6-propan-2-yl-1H-benzimidazol-2-yl)ethyl]propan-1-amine is CCCNCCc1nc2ccc(C(C)C)cc2[nH]1.
What is the InChIKey of N-[2-(6-propan-2-yl-1H-benzimidazol-2-yl)ethyl]propan-1-amine?
The InChIKey is AMNROHOOVKNRGM-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H23N3/c1-4-8-16-9-7-15-17-13-6-5-12(11(2)3)10-14(13)18-15/h5-6,10-11,16H,4,7-9H2,1-3H3,(H,17,18).
What are the key properties of N-[2-(6-propan-2-yl-1H-benzimidazol-2-yl)ethyl]propan-1-amine?
N-[2-(6-propan-2-yl-1H-benzimidazol-2-yl)ethyl]propan-1-amine has a molecular weight of 245.37 g/mol, XLogP of 3.23, 6 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(6-propan-2-yl-1H-benzimidazol-2-yl)ethyl]propan-1-amine is sourced from PubChem (CID 82331830), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).